Screen LibraryMultiscale modelling of polymer properties /
Modelling in polymer materials science has experienced a dramatic growth in the last two decades. Advances in modeling methodologies together with rapid growth in computational power have made it possible to address increasingly complex questions both of a fundamental and of a more applied nature. M...
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| Corporate Authors: | |
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| Group Author: | ; |
| Published: |
Elsevier,
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| Publisher Address: | Amsterdam ; Oxford : |
| Publication Dates: | 2006. |
| Literature type: | eBook |
| Language: | English |
| Series: |
Computer-aided chemical engineering ;
22 |
| Subjects: | |
| Online Access: |
http://www.sciencedirect.com/science/bookseries/15707946/22 |
| Summary: |
Modelling in polymer materials science has experienced a dramatic growth in the last two decades. Advances in modeling methodologies together with rapid growth in computational power have made it possible to address increasingly complex questions both of a fundamental and of a more applied nature. Multiscale Modelling of Polymer Properties assembles research done on modeling of polymeric materials from a hierarchical point of view, in which several methods are combined in a multilevel approach to complex polymeric materials. Contributions from academic and industrial experts are organized in |
| Carrier Form: | 1 online resource (xii, 411 pages) : illustrations. |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: |
9780444521873 0444521879 9780080466736 0080466737 |
| Index Number: | QD381 |
| CLC: | O63 |
| Contents: | 1. Part I: Methodological Aspects -- 1. Calculation of Hartree-Fock energy derivatives in polymers. -- 2. Advanced Monte Carlo methods for the atomistic simulation of polymers with a linear or non-linear molecular architecture. -- 3. A method for the systematic estimation of parameters for a stochastic reptation model. -- 4. Implicit micro-macro methods in viscoelastic flow calculations for polymeric fluids. -- 5. Estimation of critical parameters from QM. -- 6. Micro-macro 3D calculations of viscoelastic flow. -- 7. The derivation of size parameters for the SAFT-VR equation of state from qu |